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Klas Gunnarsson

Publications and source records attributed to Klas Gunnarsson.

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Magnetic properties of the Fe$_5$SiB$_2$-Fe$_5$PB$_2$ system

The magnetic properties of the compound Fe$_5$Si$_{1-x}$P$_{x}$B$_2$ have been studied, with a focus on the Curie temperature $T_\textrm{C}$, saturation magnetization $M_\textrm{S}$, and magnetocrystalline anisotropy. Field and temperature dependent magnetization measurements were used to determine $T_\textrm{C}\left(x\right)$ and $M_\textrm{S}\left(x\right)$. The saturation magnetization at 10 K (300 K) is found to monotonically decrease from $1.11~\mathrm{MA/m}$ ($1.03~\mathrm{MA/m}$) to $0.97~\mathrm{MA/m}$ ($0.87~\mathrm{MA/m}$), as $x$ increases from zero to one. The Curie temperature is determined to be 810 K and 615 K in Fe$_5$SiB$_2$ and Fe$_5$PB$_2$, respectively. The highest $T_\textrm{C}$ is observed for $x=0.1$, while it decreases monotonically for larger $x$. The Curie temperatures have also been theoretically determined to be 700 K and 660 K for Fe$_5$SiB$_2$ and Fe$_5$PB$_2$, respectively, using a combination of density functional theory and Monte Carlo simulations. The magnitude of the effective magnetocrystalline anisotropy was extracted using the law of approach to saturation, revealing an increase with increasing phosphorus concentration. Low--field magnetization vs. temperature results for $x = 0, 0.1, 0.2$ indicate that there is a transition from easy--axis to easy--plane anisotropy with decreasing temperature.

cond-mat.mtrl-sci

Magnetocrystalline anisotropy of Fe5PB2 and its alloys with Co and 5d elements: a combined first-principles and experimental study

The Fe$_5$PB$_2$ compound offers tunable magnetic properties via the possibility of various combinations of substitutions on the Fe and P-sites. Here, we present a combined computational and experimental study of the magnetic properties of (Fe$_{1-x}$Co$_{x}$)$_5$PB$_2$. Computationally, we are able to explore the full concentration range, while the real samples were only obtained for 0 <= x <= 0.7. The calculated magnetic moments, Curie temperatures, and magnetocrystalline anisotropy energies (MAEs) are found to decrease with increasing Co concentration. Co substitution allows for tuning the Curie temperature in a wide range of values, from about six hundred to zero kelvins. As the MAE depends on the electronic structure in the vicinity of Fermi energy, the geometry of the Fermi surface of Fe$_5$PB$_2$ and the k-resolved contributions to the MAE are discussed. Low temperature measurements of an effective anisotropy constant for a series of (Fe$_{1-x}$Co$_{x}$)$_5$PB$_2$ samples determined the highest value of 0.94 MJ m$^{-3}$ for the terminal Fe$_5$PB$_2$ composition, which then decreases with increasing Co concentration, thus confirming the computational result that Co alloying of Fe$_5$PB$_2$ is not a good strategy to increase the MAE of the system. However, the relativistic version of the fixed spin moment method reveals that a reduction in the magnetic moment of Fe$_5$PB$_2$, by about 25%, produces a fourfold increase of the MAE. Furthermore, calculations for (Fe$_{0.95}$X$_{0.05}$)$_5$PB$_2$ (X = 5$d$ element) indicate that 5% doping of Fe$_5$PB$_2$ with W or Re should double the MAE. These are results of high interest for, e.g., permanent magnet applications, where a large MAE is crucial.

cond-mat.mtrl-sci

Magnetic properties of Fe$_5$SiB$_2$ and its alloys with P, S, and Co

Fe$_5$SiB$_2$ has been synthesized and magnetic measurements have been carried out, revealing that M$_{\text{sat}}$ = 0.92 MA/m at T = 300 K. The M vs T curve shows a broad peak around T = 160 K. The anisotropy constant, K$_1$, estimated at T = 300 K, is 0.25 MJ/m$^3$. Theoretical analysis of Fe$_5$SiB$_2$ system has been carried out and extended to the full range of Fe$_5$Si$_{1-x}$P$_x$B$_2$, Fe$_5$P$_{1-x}$S$_x$B$_2$, and (Fe$_{1-x}$Co$_x$)$_5$SiB$_2$ compositions. The electronic band structures have been calculated using the Full-Potential Local-Orbital Minimum-Basis Scheme (FPLO-14). The calculated total magnetic moments are 9.20, 9.15, 9.59 and 2.42$μ_B$ per formula units of Fe$_5$SiB$_2$, Fe$_5$PB$_2$, Fe$_5$SB$_2$, and Co$_5$SiB$_2$, respectively. In agreement with experiment, magnetocrystalline anisotropy energies (MAE's) calculated for T = 0 K changes from a negative (easy-plane) anisotropy -0.28 MJ/m$^3$ for Fe$_5$SiB$_2$ to the positive (easy-axis) anisotropy 0.35 MJ/m$^3$ for Fe$_5$PB$_2$. Further increase of the number of p-electrons in Fe$_5$P$_{1-x}$S$_x$B$_2$ leads to an increase of MAE up to 0.77 MJ/m$^3$ for the hypothetical Fe$_5$P$_{0.4}$S$_{0.6}$B$_2$ composition. Volume variation and fixed spin moment calculations (FSM) performed for Fe$_5$SiB$_2$ show an inverse relation between MAE and magnetic moment in the region down to about 15\% reduction of the spin moment. The alloying of Fe$_5$SiB$_2$ with Co is proposed as a practical realization of magnetic moment reduction, which ought to increase MAE. MAE calculated in virtual crystal approximation (VCA) for a full range of (Fe$_{1-x}$Co$_x$)$_5$SiB$_2$ compositions reaches the maximum value of 1.16 MJ/m$^3$ at Co concentration x = 0.3, with the magnetic moment 7.75$μ_B$ per formula unit. Thus, (Fe$_{0.7}$Co$_{0.3}$)$_5$SiB$_2$ is suggested as a candidate for a rare-earth free permanent magnet.

cond-mat.mtrl-sci

Interface characterization of Co2MnGe/Rh2CuSn Heusler multilayers

All-Heusler multilayer structures have been investigated by means of high kinetic x-ray photoelectron spectroscopy and x-ray magnetic circular dichroism, aiming to address the amount of disorder and interface diffusion induced by annealing of the multilayer structure. The studied multilayers consist of ferromagnetic Co$_2$MnGe and non-magnetic Rh$_2$CuSn layers with varying thicknesses. We find that diffusion begins already at comparably low temperatures between 200 $^{\circ}$C and 250 $^{\circ}$C, where Mn appears to be most prone to diffusion. We also find evidence for a 4 Å thick magnetically dead layer that, together with the identified interlayer diffusion, are likely reasons for the small magnetoresistance found for current-perpendicular-to-plane giant magneto-resistance devices based on this all-Heusler system.

cond-mat.mtrl-sci